N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide

C18H16N4O — CID 58553352

IUPACN-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide
SMILESCc1cc(-c2cccc3ccc(C(=O)N=C(N)N)cc23)ccn1
InChIInChI=1S/C18H16N4O/c1-11-9-13(7-8-21-11)15-4-2-3-12-5-6-14(10-16(12)15)17(23)22-18(19)20/h2-10H,1H3,(H4,19,20,22,23)
InChIKeyJSJPBOJLJRXHMJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.62
Rot. Bonds2

About N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide

N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide (PubChem CID 58553352) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide
PubChem CID58553352
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide
SMILESCc1cc(-c2cccc3ccc(C(=O)N=C(N)N)cc23)ccn1
InChIInChI=1S/C18H16N4O/c1-11-9-13(7-8-21-11)15-4-2-3-12-5-6-14(10-16(12)15)17(23)22-18(19)20/h2-10H,1H3,(H4,19,20,22,23)
InChIKeyJSJPBOJLJRXHMJ-UHFFFAOYSA-N
XLogP2.62
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide
CID 58553394
8-(4-chlorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553229
N-(diaminomethylidene)-8-(4-fluorophenyl)naphthalene-2-carboxamide
CID 58553663
8-(2-chloro-3-pyridinyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553503
8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 70227845
N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride
CID 18945193
N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide
CID 58553330
8-(4-chloro-2-fluorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553241
N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide
CID 146508037
8-(2-chloro-6-isocyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553731
2-hydroxy-3-(2-methyl-4-pyridinyl)benzamide
CID 151221470
N-(diaminomethylidene)-4-(2,3-dichlorophenyl)quinoline-6-carboxamide
CID 67961378

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide (CID 58553352) is N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide is Cc1cc(-c2cccc3ccc(C(=O)N=C(N)N)cc23)ccn1.
What is the InChIKey of N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide?
The InChIKey is JSJPBOJLJRXHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-9-13(7-8-21-11)15-4-2-3-12-5-6-14(10-16(12)15)17(23)22-18(19)20/h2-10H,1H3,(H4,19,20,22,23).
What are the key properties of N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide is sourced from PubChem (CID 58553352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).